(3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide

C14H22N4O2 — CID 97278532

IUPAC(3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@H]1CCN(C(=O)Nc2ccnn2CC2CC2)C1
InChIInChI=1S/C14H22N4O2/c1-20-10-12-5-7-17(8-12)14(19)16-13-4-6-15-18(13)9-11-2-3-11/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyCYHNKFJYFGCIQZ-LBPRGKRZSA-N
MW278.36 g/mol
LogP1.79
Rot. Bonds5

About (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide

(3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 97278532) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID97278532
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@H]1CCN(C(=O)Nc2ccnn2CC2CC2)C1
InChIInChI=1S/C14H22N4O2/c1-20-10-12-5-7-17(8-12)14(19)16-13-4-6-15-18(13)9-11-2-3-11/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyCYHNKFJYFGCIQZ-LBPRGKRZSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide (CID 97278532) is (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide is COC[C@H]1CCN(C(=O)Nc2ccnn2CC2CC2)C1.
What is the InChIKey of (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is CYHNKFJYFGCIQZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-10-12-5-7-17(8-12)14(19)16-13-4-6-15-18(13)9-11-2-3-11/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide?
(3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97278532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).