N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C16H25N7O — CID 56719048

IUPACN-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n(n1)CCN(Cc1nccn1C)C2
InChIInChI=1S/C16H25N7O/c1-20(2)6-4-18-16(24)14-10-13-11-22(8-9-23(13)19-14)12-15-17-5-7-21(15)3/h5,7,10H,4,6,8-9,11-12H2,1-3H3,(H,18,24)
InChIKeyIHVTVMKFJSFWOQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP-0.08
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 56719048) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID56719048
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n(n1)CCN(Cc1nccn1C)C2
InChIInChI=1S/C16H25N7O/c1-20(2)6-4-18-16(24)14-10-13-11-22(8-9-23(13)19-14)12-15-17-5-7-21(15)3/h5,7,10H,4,6,8-9,11-12H2,1-3H3,(H,18,24)
InChIKeyIHVTVMKFJSFWOQ-UHFFFAOYSA-N
XLogP-0.08
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 56719048) is N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CN(C)CCNC(=O)c1cc2n(n1)CCN(Cc1nccn1C)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is IHVTVMKFJSFWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-20(2)6-4-18-16(24)14-10-13-11-22(8-9-23(13)19-14)12-15-17-5-7-21(15)3/h5,7,10H,4,6,8-9,11-12H2,1-3H3,(H,18,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56719048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).