3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide

C15H29N5O — CID 81071014

IUPAC3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cnn(CCN(CC)CC)c1
InChIInChI=1S/C15H29N5O/c1-4-13(10-16)9-15(21)18-14-11-17-20(12-14)8-7-19(5-2)6-3/h11-13H,4-10,16H2,1-3H3,(H,18,21)
InChIKeyQYDWWHJWDPVTDY-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.54
Rot. Bonds10

About 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide

3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide (PubChem CID 81071014) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
PubChem CID81071014
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cnn(CCN(CC)CC)c1
InChIInChI=1S/C15H29N5O/c1-4-13(10-16)9-15(21)18-14-11-17-20(12-14)8-7-19(5-2)6-3/h11-13H,4-10,16H2,1-3H3,(H,18,21)
InChIKeyQYDWWHJWDPVTDY-UHFFFAOYSA-N
XLogP1.54
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
5-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpentanamide
CID 104684262
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide
CID 47926908
methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
CID 66172738
1-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 60945429
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081
2-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 64823183
2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 51095081
1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine
CID 54866652

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide (CID 81071014) is 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide is CCC(CN)CC(=O)Nc1cnn(CCN(CC)CC)c1.
What is the InChIKey of 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide?
The InChIKey is QYDWWHJWDPVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-4-13(10-16)9-15(21)18-14-11-17-20(12-14)8-7-19(5-2)6-3/h11-13H,4-10,16H2,1-3H3,(H,18,21).
What are the key properties of 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide?
3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide has a molecular weight of 295.43 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide is sourced from PubChem (CID 81071014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).