N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide

C14H21N5O — CID 35533409

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N(C)Cc1cn(C)nc1C
InChIInChI=1S/C14H21N5O/c1-5-8-19-13(6-7-15-19)14(20)17(3)9-12-10-18(4)16-11(12)2/h6-7,10H,5,8-9H2,1-4H3
InChIKeyQWWBSPXDYQAVSJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.61
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide (PubChem CID 35533409) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide
PubChem CID35533409
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)N(C)Cc1cn(C)nc1C
InChIInChI=1S/C14H21N5O/c1-5-8-19-13(6-7-15-19)14(20)17(3)9-12-10-18(4)16-11(12)2/h6-7,10H,5,8-9H2,1-4H3
InChIKeyQWWBSPXDYQAVSJ-UHFFFAOYSA-N
XLogP1.61
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478737
3-[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19490092
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide
CID 22771446
2-propylpyrazole-3-carboxylic acid
CID 7017775
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441121
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
N-(1,3-dimethylpyrazol-4-yl)-2-ethylpyrazole-3-carboxamide
CID 19345990
N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569842
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide
CID 119065620
3-[5-[(4-bromo-1-ethylpyrazol-3-yl)methyl-methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491830
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 131938566

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide (CID 35533409) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)N(C)Cc1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide?
The InChIKey is QWWBSPXDYQAVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-8-19-13(6-7-15-19)14(20)17(3)9-12-10-18(4)16-11(12)2/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 35533409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).