N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide

C13H21N5O2 — CID 62836061

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N5O2/c1-2-14-6-5-12(19)17-11-7-15-18(8-11)9-13(20)16-10-3-4-10/h7-8,10,14H,2-6,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyVEDIJHZYTIXALM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.10
Rot. Bonds8

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide (PubChem CID 62836061) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
PubChem CID62836061
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N5O2/c1-2-14-6-5-12(19)17-11-7-15-18(8-11)9-13(20)16-10-3-4-10/h7-8,10,14H,2-6,9H2,1H3,(H,16,20)(H,17,19)
InChIKeyVEDIJHZYTIXALM-UHFFFAOYSA-N
XLogP0.10
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
CID 79270069
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 119728688
N-cyclopropyl-2-[4-(propylsulfonylamino)pyrazol-1-yl]acetamide
CID 61061294
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
N-cyclopropyl-2-[4-(hexan-3-ylamino)pyrazol-1-yl]acetamide
CID 103960972
N-cyclopropyl-2-[4-(1-ethoxypropan-2-ylamino)pyrazol-1-yl]acetamide
CID 115997520
N-cyclopropyl-2-[4-(5-methylheptan-3-ylamino)pyrazol-1-yl]acetamide
CID 60931941

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide (CID 62836061) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide is CCNCCC(=O)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide?
The InChIKey is VEDIJHZYTIXALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-14-6-5-12(19)17-11-7-15-18(8-11)9-13(20)16-10-3-4-10/h7-8,10,14H,2-6,9H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62836061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).