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

C11H20N4O — CID 106212884

IUPAC2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
SMILESCCCC(CN)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-3-4-9(5-12)11(16)15-8(2)10-6-13-14-7-10/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRIFWHMFDIPHWCT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.96
Rot. Bonds6

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

2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide (PubChem CID 106212884) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
PubChem CID106212884
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
SMILESCCCC(CN)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-3-4-9(5-12)11(16)15-8(2)10-6-13-14-7-10/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRIFWHMFDIPHWCT-UHFFFAOYSA-N
XLogP0.96
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106213470
5-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212676
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 113364525
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 103857035
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide (CID 106212884) is 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide is CCCC(CN)C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
The InChIKey is RIFWHMFDIPHWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-9(5-12)11(16)15-8(2)10-6-13-14-7-10/h6-9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide has a molecular weight of 224.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 106212884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).