N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide

C14H19N5O — CID 62131163

IUPACN-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide
SMILESCn1cccc1CNc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C14H19N5O/c1-18-6-2-3-13(18)8-15-12-7-16-19(9-12)10-14(20)17-11-4-5-11/h2-3,6-7,9,11,15H,4-5,8,10H2,1H3,(H,17,20)
InChIKeyBFDCHSMYYKUZAH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.11
Rot. Bonds6

About N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide

N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 62131163) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide
PubChem CID62131163
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide
SMILESCn1cccc1CNc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C14H19N5O/c1-18-6-2-3-13(18)8-15-12-7-16-19(9-12)10-14(20)17-11-4-5-11/h2-3,6-7,9,11,15H,4-5,8,10H2,1H3,(H,17,20)
InChIKeyBFDCHSMYYKUZAH-UHFFFAOYSA-N
XLogP1.11
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
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CID 61061294
N-cyclopropyl-2-[4-(oxolan-2-ylmethylamino)pyrazol-1-yl]acetamide
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CID 60931705
N-cyclopropyl-2-[4-(hexan-3-ylamino)pyrazol-1-yl]acetamide
CID 103960972
N-cyclopropyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 60931706

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide (CID 62131163) is N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide is Cn1cccc1CNc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is BFDCHSMYYKUZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18-6-2-3-13(18)8-15-12-7-16-19(9-12)10-14(20)17-11-4-5-11/h2-3,6-7,9,11,15H,4-5,8,10H2,1H3,(H,17,20).
What are the key properties of N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide?
N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(1-methylpyrrol-2-yl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 62131163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).