2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide

C9H15N5O2 — CID 61021792

IUPAC2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)CNC(=O)CN
InChIInChI=1S/C9H15N5O2/c1-6-7(4-13-14-6)3-11-9(16)5-12-8(15)2-10/h4H,2-3,5,10H2,1H3,(H,11,16)(H,12,15)(H,13,14)
InChIKeyZSNFNTHYWHZQCH-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.59
Rot. Bonds5

About 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide (PubChem CID 61021792) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide
PubChem CID61021792
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)CNC(=O)CN
InChIInChI=1S/C9H15N5O2/c1-6-7(4-13-14-6)3-11-9(16)5-12-8(15)2-10/h4H,2-3,5,10H2,1H3,(H,11,16)(H,12,15)(H,13,14)
InChIKeyZSNFNTHYWHZQCH-UHFFFAOYSA-N
XLogP-1.59
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 43663761
2,2-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 65302432
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569662
N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 83617756
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 61021531
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839
3-amino-2-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 106112236
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
N-[(5-methyl-1H-pyrazol-4-yl)methyl]but-2-ynamide
CID 107989822

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide (CID 61021792) is 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide is Cc1[nH]ncc1CNC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is ZSNFNTHYWHZQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6-7(4-13-14-6)3-11-9(16)5-12-8(15)2-10/h4H,2-3,5,10H2,1H3,(H,11,16)(H,12,15)(H,13,14).
What are the key properties of 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 61021792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).