(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide

C14H21N5O2 — CID 125166525

IUPAC(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide
SMILESCOCc1cc(CNC(=O)C[C@H](C)n2ccnc2C)[nH]n1
InChIInChI=1S/C14H21N5O2/c1-10(19-5-4-15-11(19)2)6-14(20)16-8-12-7-13(9-21-3)18-17-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,20)(H,17,18)/t10-/m0/s1
InChIKeyMQCXSYYIEKVZAU-JTQLQIEISA-N
MW291.36 g/mol
LogP1.33
Rot. Bonds7

About (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide

(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide (PubChem CID 125166525) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide
PubChem CID125166525
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide
SMILESCOCc1cc(CNC(=O)C[C@H](C)n2ccnc2C)[nH]n1
InChIInChI=1S/C14H21N5O2/c1-10(19-5-4-15-11(19)2)6-14(20)16-8-12-7-13(9-21-3)18-17-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,20)(H,17,18)/t10-/m0/s1
InChIKeyMQCXSYYIEKVZAU-JTQLQIEISA-N
XLogP1.33
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide?
The IUPAC name of (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide (CID 125166525) is (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide is COCc1cc(CNC(=O)C[C@H](C)n2ccnc2C)[nH]n1.
What is the InChIKey of (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide?
The InChIKey is MQCXSYYIEKVZAU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10(19-5-4-15-11(19)2)6-14(20)16-8-12-7-13(9-21-3)18-17-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,20)(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide?
(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide has a molecular weight of 291.36 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-(2-methylimidazol-1-yl)butanamide is sourced from PubChem (CID 125166525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).