N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

C14H22N6O3 — CID 121494948

IUPACN-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(C(=O)CN(C)C(N)=O)C2
InChIInChI=1S/C14H22N6O3/c1-3-12(21)16-7-10-6-11-8-19(4-5-20(11)17-10)13(22)9-18(2)14(15)23/h6H,3-5,7-9H2,1-2H3,(H2,15,23)(H,16,21)
InChIKeyXLRUVCBUTBTKON-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.74
Rot. Bonds5

About N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 121494948) has the molecular formula C14H22N6O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
PubChem CID121494948
Molecular FormulaC14H22N6O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC NameN-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(C(=O)CN(C)C(N)=O)C2
InChIInChI=1S/C14H22N6O3/c1-3-12(21)16-7-10-6-11-8-19(4-5-20(11)17-10)13(22)9-18(2)14(15)23/h6H,3-5,7-9H2,1-2H3,(H2,15,23)(H,16,21)
InChIKeyXLRUVCBUTBTKON-UHFFFAOYSA-N
XLogP-0.74
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 126443379
N-[[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 126450826
2-[(hex-3-enoylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 91940678
N,N-dimethyl-2-[(3-methylsulfanylpropanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70780461
N-[[5-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118787439
N-[[5-[(3-ethoxy-4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118767723
N-[[5-[(2,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118792861
N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499874
N-[[5-[(5-acetylthiophen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118765127
2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70744255
N-[[5-(2-phenylpent-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 171134954
N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499645

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 121494948) is N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC(=O)NCc1cc2n(n1)CCN(C(=O)CN(C)C(N)=O)C2.
What is the InChIKey of N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The InChIKey is XLRUVCBUTBTKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3/c1-3-12(21)16-7-10-6-11-8-19(4-5-20(11)17-10)13(22)9-18(2)14(15)23/h6H,3-5,7-9H2,1-2H3,(H2,15,23)(H,16,21).
What are the key properties of N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[carbamoyl(methyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 121494948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).